Geometry & MOs

Info

ID:	252795
PubChem CID:	103114200
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	353.01752
ΔH_f, kcal/mol:	-32.47
Dipole, Da:	5.19
IP(EA), eV:	-10.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(3-bromo-5-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NOC(=C2)COC)C(=O)OCC=C

DOS

IR

Vibrations